pyridine-4-carbaldehyde

C6H5NO — CID 13389

IUPACpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1
InChIInChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
InChIKeyBGUWFUQJCDRPTL-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.89
Rot. Bonds1

About pyridine-4-carbaldehyde

pyridine-4-carbaldehyde (PubChem CID 13389) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is pyridine-4-carbaldehyde.

Molecular Properties

Compound Namepyridine-4-carbaldehyde
PubChem CID13389
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Namepyridine-4-carbaldehyde
SMILESO=Cc1ccncc1
InChIInChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
InChIKeyBGUWFUQJCDRPTL-UHFFFAOYSA-N
XLogP0.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine-4-carbaldehyde?
The IUPAC name of pyridine-4-carbaldehyde (CID 13389) is pyridine-4-carbaldehyde.
What is the SMILES notation for pyridine-4-carbaldehyde?
The canonical SMILES for pyridine-4-carbaldehyde is O=Cc1ccncc1.
What is the InChIKey of pyridine-4-carbaldehyde?
The InChIKey is BGUWFUQJCDRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H.
What are the key properties of pyridine-4-carbaldehyde?
pyridine-4-carbaldehyde has a molecular weight of 107.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carbaldehyde is sourced from PubChem (CID 13389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).